USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 446 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 5:sc= -2.02! USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.2) USER MOD Single : A 16 TYR OH : rot 133:sc= 0.125 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0875 F(o=-2.5!,f=-0.088) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.144 K(o=-0.14,f=-6.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 180:sc= -0.031 USER MOD Single : A 50 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.8) USER MOD Single : A 59 ASN : amide:sc= 0.00368 X(o=0.0037,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 3.292 -7.522 -0.845 1.00 0.00 N ATOM 67 CA ASP A 8 4.221 -6.722 -1.635 1.00 0.00 C ATOM 68 C ASP A 8 4.787 -5.572 -0.809 1.00 0.00 C ATOM 69 O ASP A 8 4.041 -4.737 -0.296 1.00 0.00 O ATOM 70 CB ASP A 8 3.523 -6.177 -2.882 1.00 0.00 C ATOM 71 CG ASP A 8 3.620 -7.125 -4.062 1.00 0.00 C ATOM 72 OD1 ASP A 8 4.685 -7.757 -4.229 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.632 -7.235 -4.816 1.00 0.00 O ATOM 0 HA ASP A 8 5.047 -7.364 -1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.473 -5.991 -2.655 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.966 -5.218 -3.153 1.00 0.00 H new ATOM 78 N TYR A 9 6.109 -5.534 -0.684 1.00 0.00 N ATOM 79 CA TYR A 9 6.774 -4.488 0.083 1.00 0.00 C ATOM 80 C TYR A 9 7.045 -3.264 -0.787 1.00 0.00 C ATOM 81 O TYR A 9 7.304 -3.384 -1.985 1.00 0.00 O ATOM 82 CB TYR A 9 8.087 -5.012 0.668 1.00 0.00 C ATOM 83 CG TYR A 9 7.900 -6.134 1.664 1.00 0.00 C ATOM 84 CD1 TYR A 9 7.360 -5.891 2.921 1.00 0.00 C ATOM 85 CD2 TYR A 9 8.264 -7.437 1.349 1.00 0.00 C ATOM 86 CE1 TYR A 9 7.188 -6.912 3.835 1.00 0.00 C ATOM 87 CE2 TYR A 9 8.095 -8.465 2.256 1.00 0.00 C ATOM 88 CZ TYR A 9 7.557 -8.198 3.497 1.00 0.00 C ATOM 89 OH TYR A 9 7.387 -9.219 4.404 1.00 0.00 O ATOM 0 H TYR A 9 6.741 -6.216 -1.104 1.00 0.00 H new ATOM 0 HA TYR A 9 6.113 -4.194 0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.724 -5.361 -0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.613 -4.190 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.070 -4.886 3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.686 -7.650 0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.767 -6.705 4.808 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.383 -9.473 1.994 1.00 0.00 H new ATOM 0 HH TYR A 9 7.696 -10.061 4.010 1.00 0.00 H new ATOM 99 N CYS A 10 6.985 -2.087 -0.175 1.00 0.00 N ATOM 100 CA CYS A 10 7.223 -0.839 -0.892 1.00 0.00 C ATOM 101 C CYS A 10 7.942 0.170 -0.002 1.00 0.00 C ATOM 102 O CYS A 10 7.426 0.575 1.039 1.00 0.00 O ATOM 103 CB CYS A 10 5.901 -0.250 -1.386 1.00 0.00 C ATOM 104 SG CYS A 10 4.953 -1.358 -2.455 1.00 0.00 S ATOM 0 H CYS A 10 6.774 -1.970 0.816 1.00 0.00 H new ATOM 0 HA CYS A 10 7.858 -1.057 -1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.290 0.017 -0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.107 0.673 -1.928 1.00 0.00 H new ATOM 0 HG CYS A 10 5.550 -2.511 -2.523 1.00 0.00 H new ATOM 110 N LYS A 11 9.139 0.571 -0.419 1.00 0.00 N ATOM 111 CA LYS A 11 9.931 1.533 0.339 1.00 0.00 C ATOM 112 C LYS A 11 9.518 2.962 0.003 1.00 0.00 C ATOM 113 O LYS A 11 9.439 3.338 -1.167 1.00 0.00 O ATOM 114 CB LYS A 11 11.421 1.339 0.048 1.00 0.00 C ATOM 115 CG LYS A 11 12.309 2.384 0.701 1.00 0.00 C ATOM 116 CD LYS A 11 13.774 1.985 0.642 1.00 0.00 C ATOM 117 CE LYS A 11 14.671 3.072 1.215 1.00 0.00 C ATOM 118 NZ LYS A 11 14.958 4.138 0.216 1.00 0.00 N ATOM 0 H LYS A 11 9.582 0.244 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 11 9.749 1.361 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.724 0.350 0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.578 1.363 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.172 3.343 0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.009 2.520 1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.923 1.059 1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.057 1.786 -0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.193 3.513 2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.608 2.629 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.829 4.640 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.081 3.709 -0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.165 4.811 0.189 1.00 0.00 H new ATOM 132 N VAL A 12 9.258 3.756 1.037 1.00 0.00 N ATOM 133 CA VAL A 12 8.856 5.146 0.851 1.00 0.00 C ATOM 134 C VAL A 12 10.070 6.046 0.648 1.00 0.00 C ATOM 135 O VAL A 12 10.816 6.320 1.589 1.00 0.00 O ATOM 136 CB VAL A 12 8.044 5.661 2.054 1.00 0.00 C ATOM 137 CG1 VAL A 12 7.658 7.118 1.854 1.00 0.00 C ATOM 138 CG2 VAL A 12 6.810 4.798 2.272 1.00 0.00 C ATOM 0 H VAL A 12 9.318 3.461 2.012 1.00 0.00 H new ATOM 0 HA VAL A 12 8.230 5.178 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 12 8.667 5.595 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.085 7.464 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.559 7.722 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.053 7.214 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.248 5.176 3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.182 4.829 1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.115 3.769 2.465 1.00 0.00 H new ATOM 148 N ILE A 13 10.261 6.503 -0.585 1.00 0.00 N ATOM 149 CA ILE A 13 11.383 7.375 -0.910 1.00 0.00 C ATOM 150 C ILE A 13 10.980 8.843 -0.832 1.00 0.00 C ATOM 151 O ILE A 13 11.789 9.702 -0.480 1.00 0.00 O ATOM 152 CB ILE A 13 11.934 7.080 -2.318 1.00 0.00 C ATOM 153 CG1 ILE A 13 10.818 7.185 -3.359 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.575 5.701 -2.358 1.00 0.00 C ATOM 155 CD1 ILE A 13 10.022 5.908 -3.522 1.00 0.00 C ATOM 0 H ILE A 13 9.654 6.284 -1.375 1.00 0.00 H new ATOM 0 HA ILE A 13 12.161 7.175 -0.174 1.00 0.00 H new ATOM 0 HB ILE A 13 12.697 7.821 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.142 7.991 -3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.253 7.458 -4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.959 5.507 -3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.394 5.660 -1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.831 4.946 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.248 6.055 -4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.686 5.103 -3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.557 5.645 -2.572 1.00 0.00 H new ATOM 167 N PHE A 14 9.723 9.124 -1.159 1.00 0.00 N ATOM 168 CA PHE A 14 9.211 10.489 -1.125 1.00 0.00 C ATOM 169 C PHE A 14 8.252 10.681 0.046 1.00 0.00 C ATOM 170 O PHE A 14 7.255 9.973 0.187 1.00 0.00 O ATOM 171 CB PHE A 14 8.503 10.824 -2.440 1.00 0.00 C ATOM 172 CG PHE A 14 9.423 10.851 -3.626 1.00 0.00 C ATOM 173 CD1 PHE A 14 10.322 11.891 -3.799 1.00 0.00 C ATOM 174 CD2 PHE A 14 9.388 9.837 -4.570 1.00 0.00 C ATOM 175 CE1 PHE A 14 11.171 11.919 -4.890 1.00 0.00 C ATOM 176 CE2 PHE A 14 10.234 9.860 -5.663 1.00 0.00 C ATOM 177 CZ PHE A 14 11.126 10.902 -5.823 1.00 0.00 C ATOM 0 H PHE A 14 9.040 8.425 -1.451 1.00 0.00 H new ATOM 0 HA PHE A 14 10.056 11.164 -0.994 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.717 10.090 -2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.017 11.795 -2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.360 12.690 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.692 9.020 -4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.868 12.735 -5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.197 9.063 -6.391 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.787 10.921 -6.677 1.00 0.00 H new ATOM 187 N PRO A 15 8.560 11.662 0.907 1.00 0.00 N ATOM 188 CA PRO A 15 7.739 11.971 2.082 1.00 0.00 C ATOM 189 C PRO A 15 6.397 12.590 1.704 1.00 0.00 C ATOM 190 O PRO A 15 6.322 13.439 0.815 1.00 0.00 O ATOM 191 CB PRO A 15 8.592 12.977 2.857 1.00 0.00 C ATOM 192 CG PRO A 15 9.460 13.612 1.826 1.00 0.00 C ATOM 193 CD PRO A 15 9.733 12.546 0.801 1.00 0.00 C ATOM 0 HA PRO A 15 7.489 11.076 2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.971 13.717 3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.187 12.483 3.625 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.964 14.471 1.373 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.388 13.976 2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.830 12.966 -0.200 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.659 12.012 1.014 1.00 0.00 H new ATOM 201 N TYR A 16 5.340 12.161 2.385 1.00 0.00 N ATOM 202 CA TYR A 16 4.001 12.672 2.119 1.00 0.00 C ATOM 203 C TYR A 16 3.218 12.848 3.417 1.00 0.00 C ATOM 204 O TYR A 16 3.484 12.174 4.411 1.00 0.00 O ATOM 205 CB TYR A 16 3.248 11.726 1.181 1.00 0.00 C ATOM 206 CG TYR A 16 1.818 12.142 0.922 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.528 13.268 0.161 1.00 0.00 C ATOM 208 CD2 TYR A 16 0.756 11.411 1.440 1.00 0.00 C ATOM 209 CE1 TYR A 16 0.223 13.652 -0.078 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.552 11.787 1.205 1.00 0.00 C ATOM 211 CZ TYR A 16 -0.814 12.908 0.446 1.00 0.00 C ATOM 212 OH TYR A 16 -2.116 13.287 0.211 1.00 0.00 O ATOM 0 H TYR A 16 5.385 11.461 3.125 1.00 0.00 H new ATOM 0 HA TYR A 16 4.100 13.646 1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.779 11.671 0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.254 10.723 1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.337 13.853 -0.251 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.957 10.534 2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.015 14.530 -0.672 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.366 11.206 1.614 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.639 12.506 -0.068 1.00 0.00 H new ATOM 222 N GLU A 17 2.251 13.760 3.397 1.00 0.00 N ATOM 223 CA GLU A 17 1.429 14.026 4.572 1.00 0.00 C ATOM 224 C GLU A 17 -0.047 13.783 4.270 1.00 0.00 C ATOM 225 O GLU A 17 -0.640 14.462 3.433 1.00 0.00 O ATOM 226 CB GLU A 17 1.632 15.466 5.049 1.00 0.00 C ATOM 227 CG GLU A 17 2.806 15.632 5.999 1.00 0.00 C ATOM 228 CD GLU A 17 2.435 15.343 7.441 1.00 0.00 C ATOM 229 OE1 GLU A 17 1.779 14.310 7.689 1.00 0.00 O ATOM 230 OE2 GLU A 17 2.801 16.150 8.321 1.00 0.00 O ATOM 0 H GLU A 17 2.018 14.326 2.581 1.00 0.00 H new ATOM 0 HA GLU A 17 1.738 13.342 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.783 16.109 4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.723 15.807 5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.612 14.965 5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.189 16.650 5.923 1.00 0.00 H new ATOM 237 N ALA A 18 -0.633 12.808 4.958 1.00 0.00 N ATOM 238 CA ALA A 18 -2.039 12.475 4.765 1.00 0.00 C ATOM 239 C ALA A 18 -2.928 13.693 4.994 1.00 0.00 C ATOM 240 O ALA A 18 -3.192 14.073 6.134 1.00 0.00 O ATOM 241 CB ALA A 18 -2.445 11.341 5.694 1.00 0.00 C ATOM 0 H ALA A 18 -0.156 12.235 5.654 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.172 12.150 3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.497 11.103 5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.838 10.461 5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.291 11.646 6.729 1.00 0.00 H new ATOM 247 N GLN A 19 -3.384 14.300 3.903 1.00 0.00 N ATOM 248 CA GLN A 19 -4.242 15.476 3.986 1.00 0.00 C ATOM 249 C GLN A 19 -5.470 15.194 4.847 1.00 0.00 C ATOM 250 O GLN A 19 -5.945 16.067 5.571 1.00 0.00 O ATOM 251 CB GLN A 19 -4.676 15.917 2.587 1.00 0.00 C ATOM 252 CG GLN A 19 -5.354 14.818 1.786 1.00 0.00 C ATOM 253 CD GLN A 19 -6.341 15.361 0.771 1.00 0.00 C ATOM 254 OE1 GLN A 19 -7.513 14.983 0.764 1.00 0.00 O ATOM 255 NE2 GLN A 19 -5.872 16.253 -0.094 1.00 0.00 N ATOM 0 H GLN A 19 -3.174 13.997 2.952 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.671 16.279 4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.358 16.763 2.677 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.802 16.269 2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.596 14.228 1.271 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.873 14.144 2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.894 16.538 -0.052 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.490 16.653 -0.800 1.00 0.00 H new ATOM 264 N ASN A 20 -5.979 13.969 4.760 1.00 0.00 N ATOM 265 CA ASN A 20 -7.152 13.573 5.530 1.00 0.00 C ATOM 266 C ASN A 20 -6.975 12.173 6.110 1.00 0.00 C ATOM 267 O ASN A 20 -6.099 11.419 5.683 1.00 0.00 O ATOM 268 CB ASN A 20 -8.404 13.618 4.651 1.00 0.00 C ATOM 269 CG ASN A 20 -9.048 14.991 4.633 1.00 0.00 C ATOM 270 OD1 ASN A 20 -8.307 15.986 4.158 1.00 0.00 O flip ATOM 271 ND2 ASN A 20 -10.198 15.155 5.042 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.598 13.234 4.164 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.269 14.277 6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.141 13.330 3.633 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.126 12.886 5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -10.731 14.361 5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.618 16.084 5.024 1.00 0.00 H new ATOM 278 N ASP A 21 -7.812 11.831 7.083 1.00 0.00 N ATOM 279 CA ASP A 21 -7.749 10.521 7.720 1.00 0.00 C ATOM 280 C ASP A 21 -7.669 9.412 6.676 1.00 0.00 C ATOM 281 O ASP A 21 -6.913 8.453 6.831 1.00 0.00 O ATOM 282 CB ASP A 21 -8.970 10.307 8.616 1.00 0.00 C ATOM 283 CG ASP A 21 -10.252 10.804 7.977 1.00 0.00 C ATOM 284 OD1 ASP A 21 -10.502 12.027 8.023 1.00 0.00 O ATOM 285 OD2 ASP A 21 -11.005 9.971 7.432 1.00 0.00 O ATOM 0 H ASP A 21 -8.542 12.443 7.448 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.848 10.485 8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.069 9.246 8.843 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.816 10.823 9.564 1.00 0.00 H new ATOM 290 N ASP A 22 -8.454 9.549 5.614 1.00 0.00 N ATOM 291 CA ASP A 22 -8.472 8.558 4.543 1.00 0.00 C ATOM 292 C ASP A 22 -7.056 8.239 4.074 1.00 0.00 C ATOM 293 O ASP A 22 -6.694 7.074 3.913 1.00 0.00 O ATOM 294 CB ASP A 22 -9.311 9.062 3.367 1.00 0.00 C ATOM 295 CG ASP A 22 -9.152 10.552 3.139 1.00 0.00 C ATOM 296 OD1 ASP A 22 -8.088 11.098 3.500 1.00 0.00 O ATOM 297 OD2 ASP A 22 -10.091 11.173 2.600 1.00 0.00 O ATOM 0 H ASP A 22 -9.087 10.336 5.471 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.920 7.645 4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.023 8.526 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.361 8.835 3.550 1.00 0.00 H new ATOM 302 N GLU A 23 -6.261 9.282 3.857 1.00 0.00 N ATOM 303 CA GLU A 23 -4.885 9.111 3.404 1.00 0.00 C ATOM 304 C GLU A 23 -3.995 8.624 4.543 1.00 0.00 C ATOM 305 O GLU A 23 -4.337 8.765 5.718 1.00 0.00 O ATOM 306 CB GLU A 23 -4.342 10.428 2.845 1.00 0.00 C ATOM 307 CG GLU A 23 -4.880 10.772 1.466 1.00 0.00 C ATOM 308 CD GLU A 23 -4.065 10.148 0.350 1.00 0.00 C ATOM 309 OE1 GLU A 23 -3.594 9.005 0.525 1.00 0.00 O ATOM 310 OE2 GLU A 23 -3.897 10.804 -0.700 1.00 0.00 O ATOM 0 H GLU A 23 -6.545 10.253 3.987 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.879 8.360 2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.590 11.235 3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.254 10.372 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.914 10.434 1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.888 11.855 1.343 1.00 0.00 H new ATOM 317 N LEU A 24 -2.851 8.050 4.187 1.00 0.00 N ATOM 318 CA LEU A 24 -1.910 7.540 5.179 1.00 0.00 C ATOM 319 C LEU A 24 -0.632 8.372 5.195 1.00 0.00 C ATOM 320 O LEU A 24 -0.234 8.939 4.176 1.00 0.00 O ATOM 321 CB LEU A 24 -1.575 6.076 4.887 1.00 0.00 C ATOM 322 CG LEU A 24 -0.414 5.481 5.686 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.908 4.925 7.012 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.288 4.398 4.880 1.00 0.00 C ATOM 0 H LEU A 24 -2.552 7.926 3.220 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.380 7.611 6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.465 5.476 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.346 5.981 3.826 1.00 0.00 H new ATOM 0 HG LEU A 24 0.304 6.275 5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.068 4.506 7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.364 5.725 7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.646 4.145 6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.111 3.986 5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.421 3.605 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.677 4.826 3.956 1.00 0.00 H new ATOM 336 N THR A 25 0.010 8.441 6.357 1.00 0.00 N ATOM 337 CA THR A 25 1.243 9.202 6.506 1.00 0.00 C ATOM 338 C THR A 25 2.464 8.331 6.235 1.00 0.00 C ATOM 339 O THR A 25 2.583 7.230 6.773 1.00 0.00 O ATOM 340 CB THR A 25 1.362 9.808 7.917 1.00 0.00 C ATOM 341 OG1 THR A 25 0.155 10.499 8.257 1.00 0.00 O ATOM 342 CG2 THR A 25 2.541 10.767 7.997 1.00 0.00 C ATOM 0 H THR A 25 -0.305 7.978 7.210 1.00 0.00 H new ATOM 0 HA THR A 25 1.206 10.009 5.774 1.00 0.00 H new ATOM 0 HB THR A 25 1.526 8.995 8.624 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.238 10.880 9.156 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.605 11.182 9.003 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.462 10.231 7.767 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.402 11.575 7.279 1.00 0.00 H new ATOM 350 N ILE A 26 3.368 8.830 5.399 1.00 0.00 N ATOM 351 CA ILE A 26 4.580 8.097 5.059 1.00 0.00 C ATOM 352 C ILE A 26 5.785 9.029 4.988 1.00 0.00 C ATOM 353 O ILE A 26 5.698 10.136 4.456 1.00 0.00 O ATOM 354 CB ILE A 26 4.435 7.362 3.713 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.196 8.365 2.582 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.299 6.352 3.781 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.131 7.727 1.212 1.00 0.00 C ATOM 0 H ILE A 26 3.284 9.739 4.945 1.00 0.00 H new ATOM 0 HA ILE A 26 4.737 7.363 5.850 1.00 0.00 H new ATOM 0 HB ILE A 26 5.361 6.825 3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.264 8.897 2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.994 9.107 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.209 5.841 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.507 5.622 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.366 6.869 4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.960 8.497 0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.072 7.218 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.315 7.005 1.185 1.00 0.00 H new ATOM 369 N LYS A 27 6.911 8.574 5.528 1.00 0.00 N ATOM 370 CA LYS A 27 8.136 9.364 5.524 1.00 0.00 C ATOM 371 C LYS A 27 9.258 8.626 4.801 1.00 0.00 C ATOM 372 O LYS A 27 9.189 7.413 4.605 1.00 0.00 O ATOM 373 CB LYS A 27 8.564 9.686 6.958 1.00 0.00 C ATOM 374 CG LYS A 27 7.683 10.720 7.638 1.00 0.00 C ATOM 375 CD LYS A 27 7.969 10.802 9.128 1.00 0.00 C ATOM 376 CE LYS A 27 6.889 11.583 9.860 1.00 0.00 C ATOM 377 NZ LYS A 27 5.737 10.718 10.237 1.00 0.00 N ATOM 0 H LYS A 27 7.000 7.661 5.974 1.00 0.00 H new ATOM 0 HA LYS A 27 7.936 10.295 4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.553 8.768 7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.593 10.047 6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.846 11.696 7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.635 10.466 7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.037 9.796 9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.936 11.278 9.288 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.313 12.035 10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.539 12.399 9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.023 11.288 10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.316 10.307 9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.066 9.954 10.862 1.00 0.00 H new ATOM 391 N GLU A 28 10.291 9.365 4.409 1.00 0.00 N ATOM 392 CA GLU A 28 11.427 8.779 3.708 1.00 0.00 C ATOM 393 C GLU A 28 12.208 7.842 4.626 1.00 0.00 C ATOM 394 O GLU A 28 12.766 8.268 5.636 1.00 0.00 O ATOM 395 CB GLU A 28 12.350 9.878 3.178 1.00 0.00 C ATOM 396 CG GLU A 28 13.363 9.384 2.159 1.00 0.00 C ATOM 397 CD GLU A 28 14.186 10.508 1.561 1.00 0.00 C ATOM 398 OE1 GLU A 28 14.500 11.468 2.295 1.00 0.00 O ATOM 399 OE2 GLU A 28 14.517 10.427 0.360 1.00 0.00 O ATOM 0 H GLU A 28 10.364 10.370 4.565 1.00 0.00 H new ATOM 0 HA GLU A 28 11.044 8.200 2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.744 10.662 2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.881 10.330 4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.029 8.664 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.841 8.856 1.360 1.00 0.00 H new ATOM 406 N GLY A 29 12.241 6.563 4.266 1.00 0.00 N ATOM 407 CA GLY A 29 12.954 5.585 5.068 1.00 0.00 C ATOM 408 C GLY A 29 12.020 4.686 5.853 1.00 0.00 C ATOM 409 O GLY A 29 12.283 4.367 7.012 1.00 0.00 O ATOM 0 H GLY A 29 11.787 6.186 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.580 4.974 4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.620 6.102 5.758 1.00 0.00 H new ATOM 413 N ASP A 30 10.924 4.279 5.222 1.00 0.00 N ATOM 414 CA ASP A 30 9.947 3.411 5.869 1.00 0.00 C ATOM 415 C ASP A 30 9.224 2.545 4.842 1.00 0.00 C ATOM 416 O ASP A 30 8.615 3.057 3.902 1.00 0.00 O ATOM 417 CB ASP A 30 8.933 4.246 6.653 1.00 0.00 C ATOM 418 CG ASP A 30 9.546 4.906 7.872 1.00 0.00 C ATOM 419 OD1 ASP A 30 10.156 5.985 7.719 1.00 0.00 O ATOM 420 OD2 ASP A 30 9.418 4.344 8.980 1.00 0.00 O ATOM 0 H ASP A 30 10.690 4.536 4.263 1.00 0.00 H new ATOM 0 HA ASP A 30 10.480 2.756 6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.515 5.012 6.000 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.106 3.608 6.966 1.00 0.00 H new ATOM 425 N ILE A 31 9.298 1.231 5.028 1.00 0.00 N ATOM 426 CA ILE A 31 8.651 0.294 4.117 1.00 0.00 C ATOM 427 C ILE A 31 7.206 0.035 4.530 1.00 0.00 C ATOM 428 O ILE A 31 6.934 -0.354 5.666 1.00 0.00 O ATOM 429 CB ILE A 31 9.405 -1.047 4.061 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.834 -0.833 3.556 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.666 -2.034 3.169 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.790 -0.363 4.631 1.00 0.00 C ATOM 0 H ILE A 31 9.799 0.792 5.800 1.00 0.00 H new ATOM 0 HA ILE A 31 8.667 0.752 3.128 1.00 0.00 H new ATOM 0 HB ILE A 31 9.453 -1.462 5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.205 -1.767 3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.820 -0.101 2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.212 -2.977 3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.666 -2.206 3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.590 -1.627 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.784 -0.232 4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.442 0.587 5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.834 -1.105 5.429 1.00 0.00 H new ATOM 444 N VAL A 32 6.282 0.252 3.599 1.00 0.00 N ATOM 445 CA VAL A 32 4.865 0.039 3.865 1.00 0.00 C ATOM 446 C VAL A 32 4.377 -1.262 3.237 1.00 0.00 C ATOM 447 O VAL A 32 4.555 -1.493 2.041 1.00 0.00 O ATOM 448 CB VAL A 32 4.012 1.205 3.330 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.531 0.904 3.498 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.384 2.502 4.031 1.00 0.00 C ATOM 0 H VAL A 32 6.490 0.575 2.654 1.00 0.00 H new ATOM 0 HA VAL A 32 4.752 -0.018 4.948 1.00 0.00 H new ATOM 0 HB VAL A 32 4.215 1.323 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.944 1.739 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.279 -0.001 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.307 0.758 4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.772 3.315 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.211 2.399 5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.436 2.723 3.853 1.00 0.00 H new ATOM 460 N THR A 33 3.761 -2.112 4.053 1.00 0.00 N ATOM 461 CA THR A 33 3.248 -3.391 3.579 1.00 0.00 C ATOM 462 C THR A 33 1.978 -3.203 2.757 1.00 0.00 C ATOM 463 O THR A 33 0.932 -2.828 3.289 1.00 0.00 O ATOM 464 CB THR A 33 2.951 -4.346 4.751 1.00 0.00 C ATOM 465 OG1 THR A 33 4.086 -4.422 5.621 1.00 0.00 O ATOM 466 CG2 THR A 33 2.604 -5.737 4.240 1.00 0.00 C ATOM 0 H THR A 33 3.605 -1.937 5.046 1.00 0.00 H new ATOM 0 HA THR A 33 4.023 -3.829 2.950 1.00 0.00 H new ATOM 0 HB THR A 33 2.096 -3.954 5.303 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.888 -5.030 6.364 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.398 -6.394 5.085 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.723 -5.681 3.601 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.442 -6.134 3.667 1.00 0.00 H new ATOM 474 N LEU A 34 2.074 -3.468 1.459 1.00 0.00 N ATOM 475 CA LEU A 34 0.932 -3.329 0.563 1.00 0.00 C ATOM 476 C LEU A 34 -0.204 -4.259 0.980 1.00 0.00 C ATOM 477 O LEU A 34 -0.123 -5.473 0.796 1.00 0.00 O ATOM 478 CB LEU A 34 1.349 -3.629 -0.878 1.00 0.00 C ATOM 479 CG LEU A 34 0.530 -2.942 -1.971 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.750 -1.438 -1.937 1.00 0.00 C ATOM 481 CD2 LEU A 34 0.888 -3.505 -3.339 1.00 0.00 C ATOM 0 H LEU A 34 2.931 -3.780 1.003 1.00 0.00 H new ATOM 0 HA LEU A 34 0.576 -2.300 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.393 -3.342 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.294 -4.706 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.526 -3.138 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.159 -0.966 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.443 -1.047 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.806 -1.221 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.295 -3.004 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.948 -3.340 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.678 -4.574 -3.359 1.00 0.00 H new ATOM 493 N ILE A 35 -1.260 -3.679 1.540 1.00 0.00 N ATOM 494 CA ILE A 35 -2.413 -4.456 1.979 1.00 0.00 C ATOM 495 C ILE A 35 -3.251 -4.916 0.791 1.00 0.00 C ATOM 496 O ILE A 35 -3.409 -6.114 0.558 1.00 0.00 O ATOM 497 CB ILE A 35 -3.305 -3.645 2.939 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.518 -3.250 4.190 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.542 -4.446 3.315 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.008 -4.434 4.982 1.00 0.00 C ATOM 0 H ILE A 35 -1.341 -2.675 1.700 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.024 -5.328 2.505 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.626 -2.735 2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.672 -2.628 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.154 -2.640 4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.162 -3.860 3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.110 -4.681 2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.241 -5.371 3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.460 -4.079 5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.850 -5.045 5.307 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.346 -5.032 4.356 1.00 0.00 H new ATOM 512 N ASN A 36 -3.784 -3.957 0.042 1.00 0.00 N ATOM 513 CA ASN A 36 -4.604 -4.264 -1.123 1.00 0.00 C ATOM 514 C ASN A 36 -4.304 -3.302 -2.269 1.00 0.00 C ATOM 515 O ASN A 36 -3.952 -2.143 -2.046 1.00 0.00 O ATOM 516 CB ASN A 36 -6.089 -4.194 -0.760 1.00 0.00 C ATOM 517 CG ASN A 36 -6.961 -4.949 -1.744 1.00 0.00 C ATOM 518 OD1 ASN A 36 -6.483 -5.432 -2.771 1.00 0.00 O ATOM 519 ND2 ASN A 36 -8.248 -5.055 -1.435 1.00 0.00 N ATOM 0 H ASN A 36 -3.663 -2.960 0.221 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.363 -5.276 -1.449 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.236 -4.603 0.240 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.403 -3.151 -0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.883 -5.552 -2.059 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.602 -4.639 -0.573 1.00 0.00 H new ATOM 526 N LYS A 37 -4.446 -3.790 -3.496 1.00 0.00 N ATOM 527 CA LYS A 37 -4.192 -2.975 -4.678 1.00 0.00 C ATOM 528 C LYS A 37 -5.317 -1.968 -4.896 1.00 0.00 C ATOM 529 O LYS A 37 -6.396 -2.094 -4.319 1.00 0.00 O ATOM 530 CB LYS A 37 -4.044 -3.865 -5.915 1.00 0.00 C ATOM 531 CG LYS A 37 -2.797 -4.732 -5.894 1.00 0.00 C ATOM 532 CD LYS A 37 -2.426 -5.208 -7.288 1.00 0.00 C ATOM 533 CE LYS A 37 -1.054 -5.866 -7.306 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.854 -6.698 -8.524 1.00 0.00 N ATOM 0 H LYS A 37 -4.736 -4.747 -3.698 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.263 -2.428 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.921 -4.507 -5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.024 -3.236 -6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.967 -4.168 -5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.962 -5.593 -5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.175 -5.916 -7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.434 -4.363 -7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.282 -5.098 -7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.938 -6.488 -6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.092 -7.129 -8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.575 -7.447 -8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.939 -6.100 -9.371 1.00 0.00 H new ATOM 548 N ASP A 38 -5.056 -0.970 -5.733 1.00 0.00 N ATOM 549 CA ASP A 38 -6.048 0.058 -6.030 1.00 0.00 C ATOM 550 C ASP A 38 -6.838 -0.295 -7.286 1.00 0.00 C ATOM 551 O ASP A 38 -6.417 -1.137 -8.080 1.00 0.00 O ATOM 552 CB ASP A 38 -5.368 1.417 -6.205 1.00 0.00 C ATOM 553 CG ASP A 38 -6.344 2.505 -6.608 1.00 0.00 C ATOM 554 OD1 ASP A 38 -7.360 2.682 -5.902 1.00 0.00 O ATOM 555 OD2 ASP A 38 -6.092 3.180 -7.627 1.00 0.00 O ATOM 0 H ASP A 38 -4.167 -0.851 -6.218 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.741 0.112 -5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.880 1.698 -5.272 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.587 1.335 -6.961 1.00 0.00 H new ATOM 560 N CYS A 39 -7.985 0.352 -7.458 1.00 0.00 N ATOM 561 CA CYS A 39 -8.836 0.105 -8.616 1.00 0.00 C ATOM 562 C CYS A 39 -8.040 0.224 -9.911 1.00 0.00 C ATOM 563 O CYS A 39 -6.945 0.788 -9.928 1.00 0.00 O ATOM 564 CB CYS A 39 -10.009 1.086 -8.632 1.00 0.00 C ATOM 565 SG CYS A 39 -11.443 0.508 -9.571 1.00 0.00 S ATOM 0 H CYS A 39 -8.347 1.052 -6.810 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.223 -0.911 -8.541 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -10.317 1.285 -7.605 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.671 2.033 -9.052 1.00 0.00 H new ATOM 0 HG CYS A 39 -12.383 1.405 -9.524 1.00 0.00 H new ATOM 571 N ILE A 40 -8.595 -0.311 -10.993 1.00 0.00 N ATOM 572 CA ILE A 40 -7.936 -0.265 -12.292 1.00 0.00 C ATOM 573 C ILE A 40 -7.112 1.009 -12.445 1.00 0.00 C ATOM 574 O ILE A 40 -6.084 1.018 -13.123 1.00 0.00 O ATOM 575 CB ILE A 40 -8.955 -0.345 -13.444 1.00 0.00 C ATOM 576 CG1 ILE A 40 -9.813 -1.605 -13.308 1.00 0.00 C ATOM 577 CG2 ILE A 40 -8.240 -0.328 -14.786 1.00 0.00 C ATOM 578 CD1 ILE A 40 -9.010 -2.887 -13.311 1.00 0.00 C ATOM 0 H ILE A 40 -9.500 -0.782 -10.996 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.276 -1.131 -12.342 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.609 0.525 -13.392 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -10.385 -1.547 -12.382 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -10.533 -1.635 -14.126 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.974 -0.385 -15.590 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.668 0.595 -14.882 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.565 -1.182 -14.849 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -9.683 -3.738 -13.211 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.458 -2.969 -14.248 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.309 -2.879 -12.476 1.00 0.00 H new ATOM 590 N ASP A 41 -7.569 2.082 -11.810 1.00 0.00 N ATOM 591 CA ASP A 41 -6.873 3.362 -11.873 1.00 0.00 C ATOM 592 C ASP A 41 -5.547 3.297 -11.121 1.00 0.00 C ATOM 593 O ASP A 41 -5.508 2.951 -9.940 1.00 0.00 O ATOM 594 CB ASP A 41 -7.749 4.473 -11.293 1.00 0.00 C ATOM 595 CG ASP A 41 -9.034 4.665 -12.075 1.00 0.00 C ATOM 596 OD1 ASP A 41 -9.065 4.288 -13.265 1.00 0.00 O ATOM 597 OD2 ASP A 41 -10.007 5.193 -11.497 1.00 0.00 O ATOM 0 H ASP A 41 -8.419 2.091 -11.246 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.666 3.584 -12.920 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.990 4.238 -10.256 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.188 5.408 -11.286 1.00 0.00 H new ATOM 602 N VAL A 42 -4.463 3.632 -11.812 1.00 0.00 N ATOM 603 CA VAL A 42 -3.135 3.612 -11.209 1.00 0.00 C ATOM 604 C VAL A 42 -2.805 4.953 -10.563 1.00 0.00 C ATOM 605 O VAL A 42 -3.280 5.999 -11.001 1.00 0.00 O ATOM 606 CB VAL A 42 -2.051 3.276 -12.250 1.00 0.00 C ATOM 607 CG1 VAL A 42 -0.678 3.238 -11.598 1.00 0.00 C ATOM 608 CG2 VAL A 42 -2.362 1.954 -12.935 1.00 0.00 C ATOM 0 H VAL A 42 -4.478 3.921 -12.790 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.146 2.836 -10.444 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.045 4.059 -13.008 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.075 2.999 -12.349 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.457 4.211 -11.159 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.667 2.477 -10.818 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.586 1.732 -13.667 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.397 1.158 -12.191 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.326 2.023 -13.438 1.00 0.00 H new ATOM 618 N GLY A 43 -1.987 4.913 -9.515 1.00 0.00 N ATOM 619 CA GLY A 43 -1.606 6.131 -8.824 1.00 0.00 C ATOM 620 C GLY A 43 -1.978 6.105 -7.355 1.00 0.00 C ATOM 621 O GLY A 43 -1.507 6.932 -6.574 1.00 0.00 O ATOM 0 H GLY A 43 -1.582 4.059 -9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.530 6.278 -8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.089 6.983 -9.303 1.00 0.00 H new ATOM 625 N TRP A 44 -2.824 5.153 -6.978 1.00 0.00 N ATOM 626 CA TRP A 44 -3.260 5.024 -5.592 1.00 0.00 C ATOM 627 C TRP A 44 -3.017 3.610 -5.075 1.00 0.00 C ATOM 628 O TRP A 44 -3.030 2.648 -5.843 1.00 0.00 O ATOM 629 CB TRP A 44 -4.742 5.379 -5.467 1.00 0.00 C ATOM 630 CG TRP A 44 -5.076 6.736 -6.007 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.668 7.018 -7.205 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.835 7.995 -5.370 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.809 8.377 -7.351 1.00 0.00 N ATOM 634 CE2 TRP A 44 -5.307 8.999 -6.239 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.269 8.373 -4.149 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -5.228 10.353 -5.924 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.191 9.717 -3.839 1.00 0.00 C ATOM 638 CH2 TRP A 44 -4.669 10.694 -4.722 1.00 0.00 C ATOM 0 H TRP A 44 -3.221 4.460 -7.612 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.676 5.717 -4.987 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.333 4.630 -5.995 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.032 5.332 -4.417 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.979 6.281 -7.931 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.221 8.847 -8.157 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.899 7.628 -3.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.595 11.108 -6.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -3.754 10.020 -2.899 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.595 11.736 -4.449 1.00 0.00 H new ATOM 649 N TRP A 45 -2.797 3.492 -3.771 1.00 0.00 N ATOM 650 CA TRP A 45 -2.552 2.194 -3.152 1.00 0.00 C ATOM 651 C TRP A 45 -2.774 2.259 -1.645 1.00 0.00 C ATOM 652 O TRP A 45 -2.651 3.321 -1.036 1.00 0.00 O ATOM 653 CB TRP A 45 -1.126 1.726 -3.449 1.00 0.00 C ATOM 654 CG TRP A 45 -0.994 1.030 -4.770 1.00 0.00 C ATOM 655 CD1 TRP A 45 -1.992 0.433 -5.486 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.207 0.858 -5.531 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.484 -0.100 -6.646 1.00 0.00 N ATOM 658 CE2 TRP A 45 -0.138 0.148 -6.698 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.539 1.236 -5.342 1.00 0.00 C ATOM 660 CZ2 TRP A 45 0.802 -0.191 -7.668 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.470 0.898 -6.305 1.00 0.00 C ATOM 662 CH2 TRP A 45 2.098 0.191 -7.457 1.00 0.00 C ATOM 0 H TRP A 45 -2.783 4.279 -3.122 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.258 1.479 -3.574 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.457 2.587 -3.431 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.800 1.052 -2.657 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.028 0.387 -5.185 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -2.022 -0.600 -7.354 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.835 1.783 -4.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.517 -0.736 -8.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.503 1.183 -6.168 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.849 -0.057 -8.192 1.00 0.00 H new ATOM 673 N GLU A 46 -3.102 1.117 -1.050 1.00 0.00 N ATOM 674 CA GLU A 46 -3.343 1.046 0.387 1.00 0.00 C ATOM 675 C GLU A 46 -2.288 0.182 1.073 1.00 0.00 C ATOM 676 O GLU A 46 -1.908 -0.873 0.565 1.00 0.00 O ATOM 677 CB GLU A 46 -4.738 0.485 0.666 1.00 0.00 C ATOM 678 CG GLU A 46 -5.368 1.024 1.940 1.00 0.00 C ATOM 679 CD GLU A 46 -6.849 0.712 2.036 1.00 0.00 C ATOM 680 OE1 GLU A 46 -7.242 -0.416 1.674 1.00 0.00 O ATOM 681 OE2 GLU A 46 -7.614 1.597 2.473 1.00 0.00 O ATOM 0 H GLU A 46 -3.207 0.229 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.279 2.056 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.389 0.717 -0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.677 -0.601 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.854 0.599 2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.224 2.104 1.983 1.00 0.00 H new ATOM 688 N GLY A 47 -1.820 0.637 2.231 1.00 0.00 N ATOM 689 CA GLY A 47 -0.814 -0.105 2.968 1.00 0.00 C ATOM 690 C GLY A 47 -0.915 0.110 4.465 1.00 0.00 C ATOM 691 O GLY A 47 -1.605 1.021 4.921 1.00 0.00 O ATOM 0 H GLY A 47 -2.120 1.507 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.918 -1.168 2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.177 0.195 2.627 1.00 0.00 H new ATOM 695 N GLU A 48 -0.228 -0.733 5.230 1.00 0.00 N ATOM 696 CA GLU A 48 -0.247 -0.631 6.684 1.00 0.00 C ATOM 697 C GLU A 48 1.087 -0.112 7.211 1.00 0.00 C ATOM 698 O GLU A 48 2.142 -0.686 6.936 1.00 0.00 O ATOM 699 CB GLU A 48 -0.560 -1.993 7.309 1.00 0.00 C ATOM 700 CG GLU A 48 -1.306 -1.900 8.629 1.00 0.00 C ATOM 701 CD GLU A 48 -0.373 -1.808 9.821 1.00 0.00 C ATOM 702 OE1 GLU A 48 0.256 -0.745 10.002 1.00 0.00 O ATOM 703 OE2 GLU A 48 -0.273 -2.800 10.574 1.00 0.00 O ATOM 0 H GLU A 48 0.348 -1.493 4.867 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.028 0.077 6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.154 -2.578 6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.373 -2.534 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.957 -1.026 8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.948 -2.774 8.742 1.00 0.00 H new ATOM 710 N LEU A 49 1.034 0.978 7.969 1.00 0.00 N ATOM 711 CA LEU A 49 2.239 1.576 8.534 1.00 0.00 C ATOM 712 C LEU A 49 1.981 2.086 9.948 1.00 0.00 C ATOM 713 O LEU A 49 1.242 3.051 10.146 1.00 0.00 O ATOM 714 CB LEU A 49 2.727 2.723 7.647 1.00 0.00 C ATOM 715 CG LEU A 49 3.949 3.489 8.154 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.231 2.823 7.680 1.00 0.00 C ATOM 717 CD2 LEU A 49 3.898 4.939 7.694 1.00 0.00 C ATOM 0 H LEU A 49 0.170 1.465 8.206 1.00 0.00 H new ATOM 0 HA LEU A 49 3.010 0.807 8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.959 2.320 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.908 3.430 7.518 1.00 0.00 H new ATOM 0 HG LEU A 49 3.937 3.473 9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.090 3.382 8.051 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.272 1.802 8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.251 2.807 6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.776 5.469 8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.885 4.975 6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.997 5.413 8.083 1.00 0.00 H new ATOM 729 N ASN A 50 2.596 1.433 10.929 1.00 0.00 N ATOM 730 CA ASN A 50 2.434 1.822 12.325 1.00 0.00 C ATOM 731 C ASN A 50 1.001 1.585 12.794 1.00 0.00 C ATOM 732 O ASN A 50 0.434 2.395 13.525 1.00 0.00 O ATOM 733 CB ASN A 50 2.806 3.294 12.513 1.00 0.00 C ATOM 734 CG ASN A 50 4.054 3.678 11.742 1.00 0.00 C ATOM 735 OD1 ASN A 50 4.899 2.832 11.445 1.00 0.00 O ATOM 736 ND2 ASN A 50 4.177 4.959 11.413 1.00 0.00 N ATOM 0 H ASN A 50 3.211 0.632 10.783 1.00 0.00 H new ATOM 0 HA ASN A 50 3.101 1.205 12.927 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.975 3.920 12.189 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.961 3.494 13.573 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.996 5.276 10.894 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.453 5.626 11.679 1.00 0.00 H new ATOM 743 N GLY A 51 0.423 0.466 12.367 1.00 0.00 N ATOM 744 CA GLY A 51 -0.938 0.141 12.753 1.00 0.00 C ATOM 745 C GLY A 51 -1.949 1.125 12.198 1.00 0.00 C ATOM 746 O GLY A 51 -2.840 1.580 12.914 1.00 0.00 O ATOM 0 H GLY A 51 0.873 -0.221 11.761 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.182 -0.862 12.403 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.010 0.125 13.841 1.00 0.00 H new ATOM 750 N ARG A 52 -1.809 1.456 10.918 1.00 0.00 N ATOM 751 CA ARG A 52 -2.715 2.395 10.268 1.00 0.00 C ATOM 752 C ARG A 52 -3.026 1.952 8.842 1.00 0.00 C ATOM 753 O ARG A 52 -2.123 1.618 8.074 1.00 0.00 O ATOM 754 CB ARG A 52 -2.107 3.799 10.257 1.00 0.00 C ATOM 755 CG ARG A 52 -1.799 4.341 11.643 1.00 0.00 C ATOM 756 CD ARG A 52 -2.983 5.101 12.219 1.00 0.00 C ATOM 757 NE ARG A 52 -2.568 6.094 13.207 1.00 0.00 N ATOM 758 CZ ARG A 52 -3.390 6.625 14.106 1.00 0.00 C ATOM 759 NH1 ARG A 52 -4.664 6.260 14.142 1.00 0.00 N ATOM 760 NH2 ARG A 52 -2.937 7.523 14.971 1.00 0.00 N ATOM 0 H ARG A 52 -1.077 1.088 10.311 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.646 2.414 10.835 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.189 3.783 9.670 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.795 4.479 9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.536 3.517 12.307 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.932 5.000 11.593 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.523 5.596 11.412 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.675 4.397 12.681 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.594 6.396 13.207 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.016 5.570 13.478 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.292 6.669 14.833 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.957 7.806 14.946 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.568 7.930 15.661 1.00 0.00 H new ATOM 774 N ARG A 53 -4.309 1.950 8.494 1.00 0.00 N ATOM 775 CA ARG A 53 -4.738 1.547 7.161 1.00 0.00 C ATOM 776 C ARG A 53 -5.263 2.743 6.373 1.00 0.00 C ATOM 777 O ARG A 53 -6.361 3.235 6.630 1.00 0.00 O ATOM 778 CB ARG A 53 -5.821 0.470 7.255 1.00 0.00 C ATOM 779 CG ARG A 53 -5.269 -0.944 7.324 1.00 0.00 C ATOM 780 CD ARG A 53 -6.278 -1.907 7.930 1.00 0.00 C ATOM 781 NE ARG A 53 -7.283 -2.330 6.958 1.00 0.00 N ATOM 782 CZ ARG A 53 -7.164 -3.417 6.204 1.00 0.00 C ATOM 783 NH1 ARG A 53 -6.090 -4.187 6.309 1.00 0.00 N ATOM 784 NH2 ARG A 53 -8.121 -3.736 5.342 1.00 0.00 N ATOM 0 H ARG A 53 -5.069 2.223 9.117 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.874 1.140 6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.431 0.656 8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.479 0.552 6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.000 -1.280 6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.356 -0.951 7.919 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.756 -2.783 8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.771 -1.430 8.777 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.122 -1.760 6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.352 -3.945 6.970 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.002 -5.021 5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.949 -3.146 5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.029 -4.571 4.763 1.00 0.00 H new ATOM 798 N GLY A 54 -4.470 3.208 5.413 1.00 0.00 N ATOM 799 CA GLY A 54 -4.871 4.343 4.603 1.00 0.00 C ATOM 800 C GLY A 54 -4.281 4.297 3.207 1.00 0.00 C ATOM 801 O GLY A 54 -3.305 3.589 2.961 1.00 0.00 O ATOM 0 H GLY A 54 -3.556 2.818 5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.958 4.370 4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.560 5.265 5.095 1.00 0.00 H new ATOM 805 N VAL A 55 -4.876 5.053 2.290 1.00 0.00 N ATOM 806 CA VAL A 55 -4.404 5.095 0.911 1.00 0.00 C ATOM 807 C VAL A 55 -3.220 6.044 0.764 1.00 0.00 C ATOM 808 O VAL A 55 -2.988 6.901 1.617 1.00 0.00 O ATOM 809 CB VAL A 55 -5.523 5.536 -0.052 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.651 4.515 -0.063 1.00 0.00 C ATOM 811 CG2 VAL A 55 -6.043 6.913 0.330 1.00 0.00 C ATOM 0 H VAL A 55 -5.686 5.645 2.477 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.090 4.084 0.653 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.109 5.596 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.432 4.843 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.265 3.549 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.066 4.420 0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.833 7.208 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.441 6.883 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.229 7.636 0.281 1.00 0.00 H new ATOM 821 N PHE A 56 -2.473 5.886 -0.323 1.00 0.00 N ATOM 822 CA PHE A 56 -1.311 6.728 -0.582 1.00 0.00 C ATOM 823 C PHE A 56 -0.922 6.679 -2.057 1.00 0.00 C ATOM 824 O PHE A 56 -1.163 5.694 -2.756 1.00 0.00 O ATOM 825 CB PHE A 56 -0.131 6.285 0.284 1.00 0.00 C ATOM 826 CG PHE A 56 0.342 4.891 -0.014 1.00 0.00 C ATOM 827 CD1 PHE A 56 0.991 4.605 -1.203 1.00 0.00 C ATOM 828 CD2 PHE A 56 0.136 3.867 0.897 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.428 3.323 -1.480 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.571 2.583 0.625 1.00 0.00 C ATOM 831 CZ PHE A 56 1.216 2.310 -0.565 1.00 0.00 C ATOM 0 H PHE A 56 -2.652 5.182 -1.039 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.573 7.755 -0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.696 6.980 0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.418 6.346 1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.158 5.393 -1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.369 4.074 1.829 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.935 3.114 -2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.406 1.794 1.343 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.554 1.307 -0.780 1.00 0.00 H new ATOM 841 N PRO A 57 -0.304 7.766 -2.542 1.00 0.00 N ATOM 842 CA PRO A 57 0.132 7.872 -3.937 1.00 0.00 C ATOM 843 C PRO A 57 1.304 6.948 -4.250 1.00 0.00 C ATOM 844 O PRO A 57 2.385 7.084 -3.677 1.00 0.00 O ATOM 845 CB PRO A 57 0.558 9.337 -4.065 1.00 0.00 C ATOM 846 CG PRO A 57 0.925 9.747 -2.681 1.00 0.00 C ATOM 847 CD PRO A 57 0.015 8.976 -1.765 1.00 0.00 C ATOM 0 HA PRO A 57 -0.654 7.580 -4.633 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.401 9.446 -4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.252 9.952 -4.458 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.971 9.522 -2.472 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.797 10.821 -2.545 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.506 8.731 -0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.882 9.544 -1.518 1.00 0.00 H new ATOM 855 N ASP A 58 1.082 6.007 -5.162 1.00 0.00 N ATOM 856 CA ASP A 58 2.120 5.061 -5.552 1.00 0.00 C ATOM 857 C ASP A 58 3.383 5.792 -5.996 1.00 0.00 C ATOM 858 O ASP A 58 4.496 5.309 -5.793 1.00 0.00 O ATOM 859 CB ASP A 58 1.618 4.155 -6.678 1.00 0.00 C ATOM 860 CG ASP A 58 1.915 4.721 -8.052 1.00 0.00 C ATOM 861 OD1 ASP A 58 1.537 5.883 -8.310 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.526 4.002 -8.870 1.00 0.00 O ATOM 0 H ASP A 58 0.192 5.880 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 58 2.363 4.448 -4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.082 3.173 -6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.543 4.011 -6.572 1.00 0.00 H new ATOM 867 N ASN A 59 3.202 6.959 -6.605 1.00 0.00 N ATOM 868 CA ASN A 59 4.327 7.757 -7.080 1.00 0.00 C ATOM 869 C ASN A 59 5.296 8.062 -5.942 1.00 0.00 C ATOM 870 O ASN A 59 6.506 8.148 -6.149 1.00 0.00 O ATOM 871 CB ASN A 59 3.827 9.061 -7.703 1.00 0.00 C ATOM 872 CG ASN A 59 4.952 10.042 -7.972 1.00 0.00 C ATOM 873 OD1 ASN A 59 5.715 9.883 -8.925 1.00 0.00 O ATOM 874 ND2 ASN A 59 5.060 11.064 -7.131 1.00 0.00 N ATOM 0 H ASN A 59 2.287 7.374 -6.781 1.00 0.00 H new ATOM 0 HA ASN A 59 4.856 7.180 -7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.311 8.840 -8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.098 9.522 -7.037 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.798 11.756 -7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.405 11.157 -6.354 1.00 0.00 H new ATOM 881 N PHE A 60 4.754 8.225 -4.739 1.00 0.00 N ATOM 882 CA PHE A 60 5.570 8.522 -3.567 1.00 0.00 C ATOM 883 C PHE A 60 6.252 7.260 -3.046 1.00 0.00 C ATOM 884 O PHE A 60 7.016 7.307 -2.082 1.00 0.00 O ATOM 885 CB PHE A 60 4.710 9.143 -2.465 1.00 0.00 C ATOM 886 CG PHE A 60 4.447 10.608 -2.663 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.685 11.050 -3.733 1.00 0.00 C ATOM 888 CD2 PHE A 60 4.961 11.544 -1.780 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.442 12.398 -3.918 1.00 0.00 C ATOM 890 CE2 PHE A 60 4.721 12.893 -1.960 1.00 0.00 C ATOM 891 CZ PHE A 60 3.960 13.320 -3.030 1.00 0.00 C ATOM 0 H PHE A 60 3.754 8.156 -4.550 1.00 0.00 H new ATOM 0 HA PHE A 60 6.340 9.235 -3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.758 8.614 -2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.204 8.997 -1.504 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.277 10.333 -4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.556 11.215 -0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.848 12.730 -4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.128 13.612 -1.265 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.770 14.374 -3.172 1.00 0.00 H new ATOM 901 N VAL A 61 5.970 6.133 -3.691 1.00 0.00 N ATOM 902 CA VAL A 61 6.556 4.858 -3.294 1.00 0.00 C ATOM 903 C VAL A 61 6.969 4.040 -4.512 1.00 0.00 C ATOM 904 O VAL A 61 6.734 4.441 -5.653 1.00 0.00 O ATOM 905 CB VAL A 61 5.574 4.030 -2.443 1.00 0.00 C ATOM 906 CG1 VAL A 61 5.261 4.748 -1.139 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.300 3.746 -3.224 1.00 0.00 C ATOM 0 H VAL A 61 5.339 6.077 -4.491 1.00 0.00 H new ATOM 0 HA VAL A 61 7.439 5.088 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 61 6.044 3.077 -2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.566 4.148 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.182 4.894 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.811 5.717 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.618 3.160 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.824 4.687 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.544 3.187 -4.127 1.00 0.00 H new ATOM 917 N LYS A 62 7.587 2.890 -4.264 1.00 0.00 N ATOM 918 CA LYS A 62 8.033 2.013 -5.340 1.00 0.00 C ATOM 919 C LYS A 62 7.895 0.548 -4.940 1.00 0.00 C ATOM 920 O LYS A 62 8.019 0.200 -3.765 1.00 0.00 O ATOM 921 CB LYS A 62 9.488 2.318 -5.705 1.00 0.00 C ATOM 922 CG LYS A 62 9.647 3.529 -6.607 1.00 0.00 C ATOM 923 CD LYS A 62 11.026 3.571 -7.246 1.00 0.00 C ATOM 924 CE LYS A 62 11.094 4.607 -8.357 1.00 0.00 C ATOM 925 NZ LYS A 62 11.475 5.951 -7.841 1.00 0.00 N ATOM 0 H LYS A 62 7.790 2.544 -3.326 1.00 0.00 H new ATOM 0 HA LYS A 62 7.401 2.195 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.057 2.480 -4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.920 1.448 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.885 3.507 -7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.485 4.439 -6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.773 3.801 -6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.272 2.588 -7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.817 4.288 -9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.126 4.670 -8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.510 6.628 -8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.771 6.267 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.410 5.897 -7.389 1.00 0.00 H new ATOM 939 N LEU A 63 7.638 -0.308 -5.924 1.00 0.00 N ATOM 940 CA LEU A 63 7.485 -1.737 -5.674 1.00 0.00 C ATOM 941 C LEU A 63 8.841 -2.435 -5.652 1.00 0.00 C ATOM 942 O LEU A 63 9.513 -2.541 -6.679 1.00 0.00 O ATOM 943 CB LEU A 63 6.591 -2.368 -6.743 1.00 0.00 C ATOM 944 CG LEU A 63 5.094 -2.403 -6.431 1.00 0.00 C ATOM 945 CD1 LEU A 63 4.813 -3.337 -5.265 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.580 -1.002 -6.132 1.00 0.00 C ATOM 0 H LEU A 63 7.531 -0.037 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 63 7.018 -1.862 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.735 -1.823 -7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.930 -3.390 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 63 4.568 -2.782 -7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.743 -3.349 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.145 -4.344 -5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.350 -2.989 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.513 -1.045 -5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.112 -0.595 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.746 -0.361 -6.998 1.00 0.00 H new ATOM 958 N LEU A 64 9.237 -2.910 -4.477 1.00 0.00 N ATOM 959 CA LEU A 64 10.512 -3.601 -4.321 1.00 0.00 C ATOM 960 C LEU A 64 10.445 -5.008 -4.906 1.00 0.00 C ATOM 961 O LEU A 64 9.522 -5.769 -4.614 1.00 0.00 O ATOM 962 CB LEU A 64 10.901 -3.669 -2.843 1.00 0.00 C ATOM 963 CG LEU A 64 10.807 -2.357 -2.063 1.00 0.00 C ATOM 964 CD1 LEU A 64 10.657 -2.630 -0.575 1.00 0.00 C ATOM 965 CD2 LEU A 64 12.029 -1.490 -2.328 1.00 0.00 C ATOM 0 H LEU A 64 8.693 -2.829 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 64 11.270 -3.037 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.264 -4.406 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.925 -4.037 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 64 9.923 -1.817 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.592 -1.685 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.751 -3.210 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.521 -3.191 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.945 -0.561 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.928 -2.023 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.091 -1.265 -3.393 1.00 0.00 H new